SCHEMBL16613618

SCHEMBL16613618

Clc1nc(-c2ccccc2)c2ccn(-c3ccccc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 3/20 0.47
MAPT P10636 2/20 0.44
KMT2A Q03164 3/20 0.40
OPRK1 P41145 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL29516256 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL16613450 0.97 KDM4E (0.45) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL24528625 0.87 ALDH1A1 (0.39) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL24528679 0.87 ALDH1A1 (0.38) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL29680655 0.87 ALDH1A1 (0.38) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL29680579 0.87 ALDH1A1 (0.39) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL29680966 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL16613357 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL24528700 0.82 KDM4E (0.33) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL29681072 0.82 KDM4E (0.33) KDM4EALDH1A1HPGDLMNASMN1; SMN2

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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4284/4885ALDH1A1 3575/4885HPGD 1499/4885

“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.