SCHEMBL6595071

SCHEMBL6595071

Cc1cc2coccc-2c1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
CSNK2A1 P68400 1/20 0.33
FYN P06241 1/20 0.33
ADORA2A P29274 1/20 0.33
POLB P06746 2/20 0.31
IMPDH2 P12268 1/20 0.31
DHFR P00374 1/20 0.31

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
Hydrochloric Acid SCHEMBL6593571 0.98 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL6980495 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL7457314 0.79 CSNK2A1 (0.37) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL28925250 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4CSNK2A1IMPDH2
SCHEMBL9812750 0.73 CYP3A4 (0.36) ALDH1A1CYP3A4TDP1TP53CSNK2A1
SCHEMBL462653 0.71 HTR1A (0.36) CSNK2A1
SCHEMBL7696358 0.70 IMPDH2 (0.38) ALDH1A1CYP3A4TSHRCSNK2A1IMPDH2
Hydrochloric Acid SCHEMBL5395885 0.70 HTR1A (0.36) CSNK2A1
SCHEMBL7461800 0.69 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRTDP1CSNK2A1
SCHEMBL5795534 0.69 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRCSNK2A1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
EP-1305309-A1 LACTAM INHIBITORS OF FACTOR XA WHICH ARE USEFUL FOR THE TREATMENT OF THROMBOSIS Bristol-Myers Squibb Company (US) 2003-05-02 EP disclosed
US-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-6511973-B2 Enzyme inhibitors of blood coaggulation factor X for use as anticoaggulants in the treatment of cardiovascular diseases associated with thromboses BRISTOL-MYERS SQUIBB CO. 2003-01-28 US disclosed
US-20020045616-A1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2002-04-18 US disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2002010159-A1 LACTAM INHIBITORS OF FACTOR XA WHICH ARE USEFUL FOR THE TREATMENT OF THROMBOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 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 (2 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-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 ALDH1A1 2640/4885CYP3A4 190/4885TSHR 1530/4885
US-20020045616-A1 Lactam inhibitors of FXa and method F11, TFPI, F2 ALDH1A1 2115/4885CYP3A4 405/4885TSHR 3005/4885

“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.