SCHEMBL7681409

SCHEMBL7681409

Clc1nc(Cl)c2scc(-c3ccccc3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.58
PDPK1 O15530 1/20 0.44
GRM1 Q13255 9/20 0.43
ESR1 P03372 3/20 0.41
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL21823005 0.77 PDPK1 (0.51) HTR2CPDPK1GRM1ALDH1A1SMN1; SMN2
SCHEMBL7681226 0.74 HTR2C (0.46) HTR2CESR1HPGDALDH1A1SMN1; SMN2
SCHEMBL4435238 0.74 HTR2C (0.74) HTR2CALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL2368408 0.73 LMNA (0.62) ESR1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3290968 0.72 LMNA (0.47) HTR2CPDPK1GRM1ESR1HPGD
SCHEMBL16152610 0.72 SMN1; SMN2 (0.31) HTR2CSMN1; SMN2
SCHEMBL1674327 0.72 PTK2 (0.44) HTR2CPDPK1GRM1ESR1HPGD
SCHEMBL1284962 0.71 GPR35 (0.32) HTR2C
SCHEMBL29999199 0.71 GPR35 (0.32) HTR2C
SCHEMBL1899772 0.70 HTR2C (0.43) HTR2CGRM1HPGDALDH1A1SMN1; SMN2

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-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 US disclosed
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 EP 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-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT HTR2C 2163/4885PDPK1 2693/4885GRM1 530/4885

“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.