SCHEMBL294332

SCHEMBL294332

CCC(C)c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.36
CYP2D6 P10635 4/20 0.35
HRH1 P35367 3/20 0.35
KCNH2 Q12809 2/20 0.35
CHRM1 P11229 1/20 0.35
HSP90AA1 P07900 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 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
SCHEMBL12694263 1.00 RAB9A (0.41) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10115951 1.00 RAB9A (0.41) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13104826 1.00 RAB9A (0.41) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28822429 0.84 KDM4E (0.40) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL18595067 0.83 SMN1; SMN2 (0.37) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL295095 0.81 KDM4E (0.38) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL26828373 0.80 CYP2D6 (0.39) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8507646 0.80 ATM (0.37) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12041542 0.79 KDM4E (0.37) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30719393 0.79 KDM4E (0.39) RAB9AALDH1A1SMN1; SMN2KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
EP-3875151-B1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2023-09-20 EP disclosed
WO-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 WO disclosed
WO-2023081637-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-01-24 US disclosed
US-20210221803-A1 ATF6 INHIBITORS AND USES THEREOF ALTOS LABS, INC. 2021-07-22 US disclosed
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-04-01 US disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
US-20190329292-A1 SURFACE TREATMENT LIQUID AND SURFACE TREATMENT METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2019-10-31 US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20100248143-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, AND PATTERN-FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 US disclosed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP disclosed
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed
EP-1513412-B1 COFFEE AROMA HAVING AN IMPROVED STABILITY SYMRISE GMBH & CO KG (DE) 2007-02-28 EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-6579553-B1 Reaction product cysteine, hydrogen sulfide, ammonium sulfide and extracellular liquid fusarium extracts used as food flavors ZENECA LIMITED (GB) 2003-06-17 US disclosed
US-6540691-B1 Determining the presence or absence of aging in a mammal by analyzing samples of breath and air to determine content of n-alkanes, find differences in the alkane profile from the baseline alkane profile indicate aging PHILLIPS MICHAEL (US) 2003-04-01 US disclosed
US-6221026-B1 Breath test for the detection of various diseases PHILLIPS MICHAEL (US) 2001-04-24 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 (7 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-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 RAB9A 3873/4885KMT2A 1334/4885ALDH1A1 402/4885
US-20210221803-A1 ATF6 INHIBITORS AND USES THEREOF ATF4, XBP1, ATF1 RAB9A 2612/4885KMT2A 3989/4885ALDH1A1 4447/4885
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 RAB9A 3873/4885KMT2A 1334/4885ALDH1A1 402/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB RAB9A 1042/4885KMT2A 2988/4885ALDH1A1 2185/4885
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 RAB9A 2964/4885KMT2A 1070/4885ALDH1A1 170/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 RAB9A 1826/4885KMT2A 1858/4885ALDH1A1 623/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 RAB9A 3422/4885KMT2A 2749/4885ALDH1A1 4068/4885

“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.