SCHEMBL21100930

SCHEMBL21100930

NC(O)c1cc(Cl)cnc1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.48
PLAU P00749 1/20 0.45
LIPE Q05469 3/20 0.44
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LTA4H P09960 8/20 0.38
KCNH2 Q12809 4/20 0.38
PTGER4 P35408 1/20 0.38
GRIN2D O15399 2/20 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
SCHEMBL16669692 0.75 RAB9A (0.57) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL20998533 0.75 SMN1; SMN2 (0.57) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL306371 0.74 CYP2C9 (0.56) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL29494845 0.68 SMN1; SMN2 (1.00) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL240269 0.68 SMN1; SMN2 (1.00) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL2309706 0.68 SMN1; SMN2 (0.58) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL623961 0.67 MAP4K4 (0.57) SMN1; SMN2PLAUMEN1NPC1RAB9A
SCHEMBL7172986 0.67 SMN1; SMN2 (0.96) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL5991139 0.66 PLAU (0.54) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL10499451 0.66 MAPK1 (0.71) SMN1; SMN2LMNACYP2C9TSHRAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 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 (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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK SMN1; SMN2 4791/4885LMNA 4662/4885CYP2C9 1978/4885

“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.