SCHEMBL2054569

SCHEMBL2054569

O=C(Nc1ccc(F)cc1)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
POLB P06746 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
GLA P06280 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 3/20 0.55
PANK3 Q9H999 1/20 0.53
MAPT P10636 1/20 0.53
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
FAAH O00519 1/20 0.52
USP2 O75604 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28861775 0.90 POLB (0.61) KMT2APOLBSMN1; SMN2CA12CA1
SCHEMBL4391646 0.85 POLB (0.71) KMT2APOLBSMN1; SMN2CA12CA1
SCHEMBL4508859 0.84 KMT2A (0.90) KMT2APOLBSMN1; SMN2CA12CA1
SCHEMBL12995570 0.83 POLB (0.69) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL654537 0.83 POLB (0.69) KMT2APOLBSMN1; SMN2CA12CA2
SCHEMBL656477 0.83 RAB9A (0.71) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL698365 0.83 NPC1 (0.71) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL11925392 0.83 KMT2A (0.71) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL656655 0.83 POLB (0.97) POLBSMN1; SMN2GLANPC1RAB9A
SCHEMBL491293 0.83 KMT2A (1.00) KMT2ASMN1; SMN2CA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein 2026-05-26 CN disclosed
WO-2024175081-A1 SHP2 INHIBITOR COMPOUND AND USE THEREOF 深圳真实生物医药科技有限公司 2024-08-29 WO disclosed
EP-4269394-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2023-11-01 EP disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 CN disclosed
EP-3331864-A2 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-13 EP disclosed
EP-2937341-B1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2017-07-05 EP disclosed
EP-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed
US-9169224-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2015-10-27 US disclosed
EP-1836179-B1 PIPERIDINE- AND PIPERAZINE-1-CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
CN-103764658-A Compounds, their pharmaceutical compositions and their uses as IDH1 mutants inhibitors for treating cancers AGIOS PHARMACEUTICALS INC 2014-04-30 CN disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
US-20070161664-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2007-07-12 US disclosed
US-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 US disclosed
US-6710043-B1 POSSESS THE POTENTIATION OF THE CHOLINERGIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20040014745-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-01-22 US disclosed
EP-1235575-A2 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed
WO-2000072834-A9 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-20 WO disclosed
EP-1140836-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000072834-A2 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-07 WO disclosed
WO-2000042011-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN KMT2A 2117/4885POLB 4687/4885SMN1; SMN2 2350/4885
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB KMT2A 3063/4885POLB 3763/4885SMN1; SMN2 3114/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN KMT2A 2117/4885POLB 4687/4885SMN1; SMN2 2350/4885
US-20040014745-A1 Amide compounds CHRM1, CHRM2, CHRNE KMT2A 1224/4885POLB 2764/4885SMN1; SMN2 1339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.