SCHEMBL2937870

SCHEMBL2937870

CC(NC(=O)O)c1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
IDO1 P14902 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MLKL Q8NB16 2/20 0.51
FPR1 P21462 1/20 0.51
SSTR4 P31391 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL19512864 0.88 TSHR (0.63) TSHRL3MBTL1KMT2AKDM4ELMNA
SCHEMBL27315337 0.87 L3MBTL1 (0.69) TSHRL3MBTL1KMT2AKDM4ELMNA
SCHEMBL2038892 0.81 KMT2A (0.58) TSHRL3MBTL1KMT2ALMNAIDO1
SCHEMBL8330091 0.81 TSHR (0.59) TSHRL3MBTL1KMT2AKDM4ELMNA
SCHEMBL6304376 0.81 TSHR (0.59) TSHRL3MBTL1KMT2AKDM4ELMNA
SCHEMBL2455662 0.81 TSHR (0.55) TSHRL3MBTL1KMT2AKDM4ELMNA
SCHEMBL9130527 0.81 AAK1 (0.59) TSHRL3MBTL1KMT2AALDH1A1MAPT
SCHEMBL9130537 0.81 AAK1 (0.59) TSHRL3MBTL1KMT2AALDH1A1MAPT
SCHEMBL2509706 0.80 ALPL (0.58) TSHRL3MBTL1IDO1ALDH1A1CYP1A2
SCHEMBL21637690 0.80 TSHR (0.61) TSHRL3MBTL1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000892-B1 ORGANOPOLYSILOXANE COMPOSITIONS WITH MICROBICIDAL ACTIVITY THAT CAN BE STORED IN THE ABSENCE OF WATER BAYER AG (DE) 1981-03-18 EP claimed
US-4228065-A Microbiocidal organopolysiloxane molding compositions BAYER AKTIENGESELLSCHAFT (DE) 1980-10-14 US claimed
EP-0000892-A1 Organopolysiloxane compositions with microbicidal activity that can be stored in the absence of water BAYER AG (DE) 1979-03-07 EP claimed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2094670-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
EP-0000892-B1 ORGANOPOLYSILOXANE COMPOSITIONS WITH MICROBICIDAL ACTIVITY THAT CAN BE STORED IN THE ABSENCE OF WATER BAYER AG (DE) 1981-03-18 EP disclosed
US-4228065-A Microbiocidal organopolysiloxane molding compositions BAYER AKTIENGESELLSCHAFT (DE) 1980-10-14 US disclosed
US-4228065-A Microbiocidal organopolysiloxane molding compositions BAYER AKTIENGESELLSCHAFT (DE) 1980-10-14 US disclosed
EP-0000892-A1 Organopolysiloxane compositions with microbicidal activity that can be stored in the absence of water BAYER AG (DE) 1979-03-07 EP 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 (2 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD TSHR 2000/4885L3MBTL1 4239/4885KMT2A 3722/4885
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 TSHR 4379/4885L3MBTL1 4171/4885KMT2A 2667/4885

“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.