SCHEMBL20173300

SCHEMBL20173300

Cc1cccc(-c2cc(C(C)Cl)on2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
GRM5 P41594 1/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
RORC P51449 1/20 0.43
MAOB P27338 2/20 0.42
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL20173301 0.84 RORC (0.46) SMN1; SMN2GRM5RAB9ANPC1RORC
SCHEMBL30037984 0.83 SMN1; SMN2 (0.45) SMN1; SMN2GRM5RAB9ANPC1MAOB
SCHEMBL20162662 0.83 SMN1; SMN2 (0.45) SMN1; SMN2GRM5RAB9ANPC1MAOB
SCHEMBL20162732 0.80 MAPT (0.50) SMN1; SMN2GRM5RAB9ANPC1MAOB
SCHEMBL30038111 0.80 MAPT (0.50) SMN1; SMN2GRM5RAB9ANPC1MAOB
SCHEMBL12586462 0.78 RAB9A (0.49) SMN1; SMN2GRM5RAB9ANPC1RORC
SCHEMBL10257193 0.75 NOTUM (0.56) SMN1; SMN2GRM5RAB9ANPC1MAOB
SCHEMBL1544609 0.75 RAB9A (0.55) SMN1; SMN2GRM5RAB9ANPC1TP53
SCHEMBL1040166 0.75 CHEK1 (0.49) SMN1; SMN2GRM5RAB9ANPC1RORC
SCHEMBL15805892 0.75 RAB9A (0.60) SMN1; SMN2GRM5RAB9ANPC1MAOB

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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
WO-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 SMN1; SMN2 3587/4885GRM5 2325/4885RAB9A 1235/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SMN1; SMN2 3646/4885GRM5 2482/4885RAB9A 1282/4885

“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.