SCHEMBL21772249

SCHEMBL21772249

NC1(Br)Cc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 3/20 0.39
CES1 P23141 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL10909881 0.76 NPSR1 (0.47) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL28750465 0.76 L3MBTL1 (0.47) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL866472 0.76 NPSR1 (0.47) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL14938940 0.73 NPSR1 (0.49) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL28671705 0.72 L3MBTL1 (0.47) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL7998779 0.72 L3MBTL1 (0.47) L3MBTL1NPSR1LMNAHTTCES1
SCHEMBL4459204 0.71 NPSR1 (0.50) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL11500029 0.71 SIGMAR1 (0.51) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL31599138 0.71 SIGMAR1 (0.51) L3MBTL1NPSR1LMNAHTTMAOA
SCHEMBL3994729 0.71 L3MBTL1 (0.50) L3MBTL1NPSR1LMNAHTTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807997-B2 Methods for making quinolinyldiamines EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-10-20 US disclosed
WO-2020046794-A1 METHODS FOR MAKING QUINOLINYLDIAMINES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-03-05 WO 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 L3MBTL1 2365/4885NPSR1 2621/4885LMNA 2828/4885
US-10807997-B2 Methods for making quinolinyldiamines NNMT, PNMT, HNMT L3MBTL1 2365/4885NPSR1 2621/4885LMNA 2828/4885

“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.