SCHEMBL6323136

SCHEMBL6323136

Cc1cc2c(NCc3cc(C(=N)NC(=O)c4ccccc4)ccc3OCc3ccccc3)ncnc2cc1C(=O)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
EGFR P00533 6/20 0.37
KDM4E B2RXH2 1/20 0.37
LCK P06239 1/20 0.37
NMT1 P30419 1/20 0.37
KDR P35968 1/20 0.36
CDK1 P06493 1/20 0.36
HSD17B10 Q99714 3/20 0.36
USP2 O75604 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL6324414 0.92 EGFR (0.39) HPGDLMNANPC1RAB9APOLB
SCHEMBL6329307 0.90 HPGD (0.40) HPGDLMNANPC1RAB9APOLB
SCHEMBL6323864 0.89 PDE5A (0.35) HPGDLMNANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL6322311 0.89 EGFR (0.40) HPGDLMNANPC1RAB9APOLB
SCHEMBL6327115 0.89 CDK1 (0.37) HPGDLMNAPOLBALDH1A1HTT
SCHEMBL6332087 0.84 CDK1 (0.50) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL6323130 0.82 NPC1 (0.38) HPGDLMNANPC1RAB9APOLB
SCHEMBL6324788 0.82 HPGD (0.41) HPGDLMNANPC1RAB9APOLB
SCHEMBL6331854 0.81 CNR1 (0.44) HPGDALDH1A1EGFRKDM4ENMT1
SCHEMBL6322214 0.81 CDK1 (0.39) HPGDLMNAALDH1A1HTTEGFR

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 HPGD 1428/4885LMNA 343/4885NPC1 1892/4885

“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.