SCHEMBL7532695

SCHEMBL7532695

Cc1ccccc1N1CCN(N=Cc2ccc(C3=NOC(CN4CCN(CC(=O)O)CC4)C3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MAPK1 P28482 3/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 5/20 0.38
POLB P06746 1/20 0.38
MIF P14174 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7522127 0.91 LMNA (0.40) NPC1RAB9AMAPK1KMT2AGAA
SCHEMBL7528999 0.91 RAB9A (0.48) NPC1RAB9AMAPK1KMT2AGAA
SCHEMBL7522898 0.88 SMN1; SMN2 (0.45) NPC1RAB9AMAPK1KMT2AGAA
SCHEMBL7527858 0.85 MIF (0.41) NPC1RAB9AMAPK1KMT2AGAA
SCHEMBL7523927 0.85 MIF (0.41) NPC1RAB9AMAPK1KMT2AGAA
SCHEMBL7526512 0.85 MIF (0.41) NPC1RAB9AMAPK1KMT2AGAA
SCHEMBL7530435 0.83 MIF (0.39) NPC1RAB9AMIF
SCHEMBL7534752 0.83 MIF (0.39) NPC1RAB9AMAPK1KMT2APOLB
SCHEMBL7660015 0.82 MIF (0.39) NPC1RAB9AMIF
SCHEMBL7532685 0.81 AR (0.41) MAPK1MIFMAPTLMNA

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-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US disclosed
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB NPC1 3438/4885RAB9A 3224/4885MAPK1 1688/4885

“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.