SCHEMBL8404452

SCHEMBL8404452

Cc1cccc2c(C)nncc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
CYP2A6 P11509 3/20 0.50
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
GPR3 P46089 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRAF P15056 1/20 0.34
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL18630336 0.79 NOS1 (0.37) CYP1A2CYP2A6ALDH1A1SMN1; SMN2GPR3
SCHEMBL18630370 0.79 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL8129228 0.76 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1SMN1; SMN2HPGD
SCHEMBL14493616 0.75 MAPK14 (0.45) CYP1A2CYP2A6ALDH1A1SMN1; SMN2HPGD
SCHEMBL24183836 0.74 HPRT1 (0.48) CYP1A2CYP2A6ALDH1A1SMN1; SMN2GPR3
SCHEMBL10200810 0.72 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1GPR3HPGD
SCHEMBL8129269 0.72 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1HPGDMEN1
SCHEMBL30418421 0.72 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1HPGDMEN1
SCHEMBL24122093 0.71
SCHEMBL291004 0.71 LMNA (0.52) CYP1A2CYP2A6ALDH1A1SMN1; SMN2GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
US-10249830-B2 Carbazole-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-02 US disclosed
US-20170077419-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 US disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20070224554-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed
US-20070224554-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-7223531-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-29 US disclosed
US-7223531-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-29 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US 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 (3 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-10249830-B2 Carbazole-based compound and organic light-emitting device including the same OCIAD1, OXA1L, OCIAD2 CYP1A2 42/4885CYP2A6 923/4885ALDH1A1 229/4885
US-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN HSP90AB1, HSP90AA1, HSP90AB2P CYP1A2 3366/4885CYP2A6 4153/4885ALDH1A1 2737/4885
US-20170077419-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OCIAD1, OXA1L, CYP1A1 CYP1A2 42/4885CYP2A6 786/4885ALDH1A1 202/4885

“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.