SCHEMBL21772243

SCHEMBL21772243

Nc1cc2c(cc1Br)CCCC2=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOA P21397 13/20 0.44
MAOB P27338 13/20 0.44
PRKCI P41743 1/20 0.44
CYP2A6 P11509 1/20 0.41
HSD17B1 P14061 2/20 0.40
TYMS P04818 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.38
BAZ2B Q9UIF8 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
SCHEMBL29618363 0.89 CASP7 (0.50) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL2300153 0.89 CASP7 (0.50) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL8615975 0.84 MEN1 (0.55) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL1027553 0.81 MAPK1 (0.49) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL434862 0.81 TYMS (0.51) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL23782883 0.78 MEN1 (0.49) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL16858594 0.78 MAPK1 (0.49) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL21155471 0.78 MEN1 (0.49) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL10750496 0.78 MAPK1 (0.49) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL15689674 0.78 MAOA (0.49) MEN1MAPK1KMT2ANPSR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390733-B2 Elastomeric formulations comprising branched EPDM polymers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-07-19 US disclosed
US-10807997-B2 Methods for making quinolinyldiamines EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-10-20 US disclosed
US-20200172717-A1 Elastomeric Formulations Comprising Branched EPDM Polymers EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-06-04 US disclosed
US-20200071344-A1 METHODS FOR MAKING QUINOLINYLDIAMINES EXXONMOBIL CHEMICAL PATENTS INC. 2020-03-05 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 (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-20200071344-A1 METHODS FOR MAKING QUINOLINYLDIAMINES NNMT, PNMT, HNMT MEN1 3890/4885MAPK1 4017/4885KMT2A 1795/4885
US-10807997-B2 Methods for making quinolinyldiamines NNMT, PNMT, HNMT MEN1 3890/4885MAPK1 4017/4885KMT2A 1795/4885

“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.