SCHEMBL5756624

SCHEMBL5756624

O=C(Nc1ccc(Cl)cc1)c1cccnc1NC(c1ccncc1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.54
▸ AKT1 P31749 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7451045 0.90 KDR (0.43) KDRAKT1
Hydrochloric Acid SCHEMBL6774861 0.89 KDR (0.42) KDRAKT1
Hydrochloric Acid SCHEMBL7558014 0.88 AKT1 (0.42) KDRAKT1
SCHEMBL5760397 0.88 MEN1 (0.56) KDRAKT1NPC1MAPK1MEN1
SCHEMBL7377861 0.84 RXFP2 (0.45) KDRAKT1
Ammonia Solution, Strong SCHEMBL7446734 0.83 AKT1 (0.43) AKT1NPC1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7455665 0.80 AKT1 (0.47) AKT1NPC1RAB9ASMN1; SMN2
SCHEMBL5760425 0.80 KDR (0.39) KDRAKT1MEN1KMT2A
SCHEMBL6415440 0.79 F10 (0.49) AKT1NPC1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL7443795 0.79 CNR1 (0.43) AKT1NPC1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140881-B1 ANTITHROMBOTIC AMIDES LILLY CO ELI (US) 2006-05-17 — — EP disclosed
US-6716839-B2 INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY 2004-04-06 — — US disclosed
US-6716855-B2 INHIBITOR OF FACTOR XA; N1-(BENZOYL)-N2-(1-(4-PYRIDYL)PIPERIDIN-4-YL-METHYL)-1,2-BENZENDIAMINE HIGH BIOAVAILABILITY ELI LILLY AND COMPANY 2004-04-06 — — US disclosed
US-6710057-B2 INHIBITORS OF FACTOR XA, AS ANTICOAGULANTS FOR PROPHYLAXIS AND TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2004-03-23 — — US disclosed
US-20030199504-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 — — US disclosed
US-20030199505-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 — — US disclosed
US-20030191153-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-09 — — 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 (3 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-20030191153-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDR 1677/4885AKT1 2887/4885NPC1 2585/4885
US-20030199504-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDR 1677/4885AKT1 2887/4885NPC1 2585/4885
US-20030199505-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDR 1677/4885AKT1 2887/4885NPC1 2585/4885

“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.

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