SCHEMBL412734

SCHEMBL412734

O=C1NCCN1c1ccc(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.48
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 1/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
SCN9A Q15858 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL853306 0.81 TDO2 (0.49) TDO2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19454936 0.80 TDO2 (0.48) TDO2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29516737 0.80 PIM1 (0.42) TDO2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1461869 0.78 CYP11B2 (0.48) TDO2CYP1A2CYP3A4TSHRSMN1; SMN2
SCHEMBL9988948 0.77 CYP1A2 (0.44) TDO2CYP1A2CYP3A4TSHRSMN1; SMN2
SCHEMBL19449824 0.76 TDO2 (0.45) TDO2CYP1A2CYP3A4TSHRSMN1; SMN2
SCHEMBL15205734 0.76 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31074188 0.76 TDO2 (0.48) TDO2CYP1A2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14995793 0.76 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL854398 0.75 MAPT (0.57) TDO2CYP1A2CYP3A4TSHRSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919915-B2 Compounds as GPR119 agonists MANKIND PHARMA LTD. (IN) 2021-02-16 US disclosed
US-20200040006-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2020-02-06 US disclosed
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 US disclosed
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 US disclosed
WO-2017175068-A1 THIAZOLOPYRIDINE DERIVATIVES AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 WO disclosed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed
US-6689779-B2 PYRIDINE OR PYRIMIDINE SUBSTITUTED; ANTIBACTERIAL ACTIVITY; LOW TOXICITY DONG A PHARM. CO., LTD. (KR) 2004-02-10 US disclosed
US-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof DONG A PHARM. CO., LTD. (KR) 2003-09-04 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 (5 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-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof OXA1L, ODC1, PDCD4 TDO2 638/4885GRIN2D 3021/4885GRIN3B 3711/4885
US-20200040006-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS GPR119, GPR84, GPR65 TDO2 3108/4885GRIN2D 909/4885GRIN3B 343/4885
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS GPR119, GPR84, GPR65 TDO2 3108/4885GRIN2D 909/4885GRIN3B 343/4885
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP TDO2 183/4885GRIN2D 4389/4885GRIN3B 4101/4885
US-10919915-B2 Compounds as GPR119 agonists GPR119, GPR84, GPR65 TDO2 3005/4885GRIN2D 954/4885GRIN3B 378/4885

“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.