SCHEMBL7630561

SCHEMBL7630561

O=C(Nc1ccccc1)n1[c]ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
P2RX4 Q99571 1/20 0.44
FAAH O00519 1/20 0.43
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7097269 0.75 P2RX4 (0.48) TSHRCYP2C9CYP2C19P2RX4BCHE
SCHEMBL4954710 0.71 TP53 (0.54) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL11030408 0.69 SMN1; SMN2 (0.42) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL11027044 0.69 GAA (0.43) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL570715 0.68 CYP2C9 (0.71) TP53SMN1; SMN2NPC1RAB9ACYP2C9
SCHEMBL4776281 0.68 CYP2C9 (0.71) SMN1; SMN2NPC1RAB9ACYP2C9CYP2C19
SCHEMBL2897923 0.67 KDM4E (0.77) SMN1; SMN2CYP2C9CYP2C19FAAHPOLB
SCHEMBL10729724 0.67 KDM4E (0.77) SMN1; SMN2CYP2C9CYP2C19FAAHPOLB
SCHEMBL4051171 0.67 RAB9A (0.69) SMN1; SMN2NPC1RAB9ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7128759 0.67 POLB (0.72) SMN1; SMN2NPC1RAB9ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US claimed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US claimed
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2001-11-08 US claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 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-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 TP53 3628/4885SMN1; SMN2 1156/4885EPHX1 1172/4885

“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.