SCHEMBL3472679

SCHEMBL3472679

CCC(CC)Cn1nc2cc(C(=O)O)ccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.44
SLC22A12 Q96S37 5/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MITF O75030 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL27775561 0.76 SLC22A12 (0.43) HCAR3SLC22A12RAB9AMEN1KMT2A
SCHEMBL3472266 0.74 KDM5A (0.47) HCAR3SLC22A12MEN1KMT2AKDM4E
SCHEMBL23535818 0.74 HCAR3 (0.51) HCAR3SLC22A12RAB9ANPC1MEN1
SCHEMBL29301478 0.72 TDP1 (0.44) HCAR3SLC22A12RAB9ANPC1MEN1
SCHEMBL3471615 0.72 MEN1 (0.44) HCAR3RAB9ANPC1MEN1KMT2A
SCHEMBL6301461 0.69 SLC22A12 (0.47) HCAR3SLC22A12RAB9ANPC1SMN1; SMN2
SCHEMBL27566384 0.68 SLC22A12 (0.41) SLC22A12RAB9ANPC1SMN1; SMN2
SCHEMBL2366504 0.66 HPGD (0.49) HCAR3RAB9ANPC1MEN1KMT2A
SCHEMBL20606579 0.64 HCAR3 (0.46) HCAR3RAB9ANPC1TDP1MITF
SCHEMBL2733644 0.64 MCL1 (0.41) MEN1KMT2A

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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT HCAR3 1216/4885SLC22A12 4633/4885RAB9A 2293/4885

“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.