SCHEMBL7089067

SCHEMBL7089067

Sc1ccn(-c2ccc(Br)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGS2 P35354 1/20 0.38
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTT P42858 2/20 0.33
AHR P35869 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 3/20 0.32
ENPP2 Q13822 1/20 0.31
PKM P14618 2/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2C9 P11712 2/20 0.30

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
SCHEMBL7088810 0.79 NOTUM (0.47) KMT2AKDM4EMAPTCYP2A6RAB9A
SCHEMBL5544137 0.79 KMT2A (0.40) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL29044837 0.78 CYP2C9 (0.47) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL24185587 0.75 MEN1 (0.40) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL5544146 0.75 HTT (0.56) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL15352886 0.75 KMT2A (0.40) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL474655 0.75 MAPK1 (0.40) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL15287060 0.71 CASR (0.40) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL24185596 0.71 CASR (0.39) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL15299351 0.71 NPC1 (0.52) KMT2AMEN1TSHRKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030125325-A1 Pyrazolyl benzyl thioethers BAYER AKTIENGESELLSCHAFT (DE) 2003-07-03 US disclosed
EP-1273573-A1 Pyrazolylbenzylthioethers and their use for combating organisms which are harmful to plants Bayer CropScience AG (DE) 2003-01-08 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 (1 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-20030125325-A1 Pyrazolyl benzyl thioethers TST, TPMT, PTBP3 KMT2A 3423/4885MEN1 4356/4885TSHR 1554/4885

“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.