SCHEMBL7537847

SCHEMBL7537847

O=C(SCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
GPR139 Q6DWJ6 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGDS O60760 1/20 0.31
ALKBH2 Q6NS38 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7538966 0.87 KMT2A (0.32) KMT2AGPR139ALDH1A1MAPT
SCHEMBL7544500 0.78 MAPK1 (0.41) KMT2AGPR139ALDH1A1
SCHEMBL1195324 0.77 AKR1B1 (0.44) CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL20772213 0.77 MAPT (0.36) KMT2AHPGDSALKBH2ALDH1A1MAPT
SCHEMBL3152998 0.75 TSHR (0.39) CYP1A2CYP2C19ALDH1A1
SCHEMBL5363164 0.75 TRPA1 (0.39) ALDH1A1
SCHEMBL7544520 0.73 TDP1 (0.42) KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL23532019 0.72 TP53 (0.39) KMT2ACYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL5267243 0.72 ALKBH2 (0.53) HPGDSALKBH2MAPT
SCHEMBL7540410 0.72 ATM (0.36) KMT2AGPR139CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 US disclosed
EP-0667868-B1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
US-20010056089-A1 Novel crystal of cephalosporin compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-27 US disclosed
US-20010007903-A1 NOVEL CRYSTAL OF CEPHALOSPORIN COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-12 US disclosed
EP-0780393-A1 NOVEL CRYSTAL OF CEPHALOSPORIN COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
CN-1116425-A New cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-07 CN disclosed
EP-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 EP disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 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-20010056089-A1 Novel crystal of cephalosporin compound CEP170, CXXC4, DAO KMT2A 776/4885GPR139 3016/4885CYP1A2 2032/4885
US-20010007903-A1 NOVEL CRYSTAL OF CEPHALOSPORIN COMPOUND CEP170, CXXC4, DAO KMT2A 776/4885GPR139 3016/4885CYP1A2 2032/4885

“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.