SCHEMBL4748476

SCHEMBL4748476

Cc1ccc(-c2ncc(C#N)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP2A6 P11509 1/20 0.52
CYP11B2 P19099 2/20 0.44
CYP11B1 P15538 1/20 0.44
EGLN2 Q96KS0 2/20 0.43
GRM5 P41594 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ERBB2 P04626 1/20 0.41
XDH P47989 1/20 0.40
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
ACVR1 Q04771 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
F9 P00740 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL11752921 0.98 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP11B2CYP11B1EGLN2
SCHEMBL91889 0.87 ALDH1A1 (0.57) ALDH1A1CYP2A6CYP11B2CYP11B1EGLN2
SCHEMBL11457128 0.87 ALDH1A1 (0.57) ALDH1A1CYP2A6CYP11B2CYP11B1EGLN2
SCHEMBL14228803 0.84 ALDH1A1 (0.52) ALDH1A1CYP2A6CYP11B2CYP11B1EGLN2
SCHEMBL11753314 0.82 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP11B2CYP11B1EGLN2
SCHEMBL7273679 0.80 ALDH1A1 (0.61) ALDH1A1EGLN2KDM4EL3MBTL1LMNA
SCHEMBL2433773 0.80 MEN1 (0.61) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL2311763 0.79 NPC1 (0.58) ALDH1A1NPSR1KDM4EL3MBTL1LMNA
SCHEMBL24942713 0.78 KDM4E (0.44) ALDH1A1CYP11B2EGLN2KDM4EL3MBTL1
SCHEMBL738443 0.78 CCR1 (0.46) ALDH1A1KDM4ELMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230205010-A1 LIQUID CRYSTAL DISPLAY ELEMENT Sharp Display Technology Corporation (JP) 2023-06-29 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
US-8278343-B2 Pyrrolidines PFIZER INC. (US) 2012-10-02 US disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO disclosed
US-20100120793-A1 Pyrrolidines PFIZER ANIMAL HEALTH UK 1 LIMITED (GB) 2010-05-13 US disclosed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 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-20100120793-A1 Pyrrolidines PTGER2, PTGDR2, PTGES2 ALDH1A1 289/4885CYP2A6 1611/4885CYP11B2 213/4885

“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.