SCHEMBL22152181

SCHEMBL22152181

N#Cc1cn(CCCO)c2cc(Br)ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.44
HTT P42858 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.39
P2RX7 Q99572 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KRAS P01116 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
SCHEMBL22153072 0.96 HTT (0.43) KDM1AHTTMAPTSMN1; SMN2GAA
SCHEMBL3463638 0.83 MAPT (0.52) HTTMAPTSMN1; SMN2GAALMNA
SCHEMBL10095347 0.80 SMN1; SMN2 (0.47) HTTMAPTSMN1; SMN2GAALMNA
SCHEMBL22122410 0.78 SMN1; SMN2 (0.47) HTTMAPTSMN1; SMN2GAATDP1
SCHEMBL22152007 0.78 KDM1A (0.36) KDM1AHTTSMN1; SMN2GAALMNA
SCHEMBL22156325 0.77 SMN1; SMN2 (0.49) MAPTSMN1; SMN2GAATDP1TSHR
SCHEMBL22122433 0.77 SMN1; SMN2 (0.49) HTTMAPTSMN1; SMN2GAATDP1
SCHEMBL22122352 0.76 SMN1; SMN2 (0.41) HTTMAPTSMN1; SMN2GAATDP1
SCHEMBL22152193 0.76 SMN1; SMN2 (0.45) KDM1AMAPTSMN1; SMN2GAATDP1
SCHEMBL16037112 0.75 SMN1; SMN2 (0.69) HTTMAPTSMN1; SMN2GAATDP1

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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS KDM1A 4771/4885HTT 3076/4885MAPT 4081/4885

“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.