SCHEMBL4730666

SCHEMBL4730666

CSc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
TDP1 Q9NUW8 4/20 0.64
CYP3A4 P08684 3/20 0.64
TSHR P16473 2/20 0.64
TEAD4 Q15561 1/20 0.58
MAPT P10636 6/20 0.56
POLB P06746 1/20 0.56
MAOA P21397 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAOB P27338 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NLRP1 Q9C000 1/20 0.50

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 SCHEMBL11238778 0.98 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRTEAD4
SCHEMBL2774995 0.88 CYP1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAOB
SCHEMBL112595 0.85
Hydrochloric Acid SCHEMBL9144824 0.83 CYP3A4 (0.55) ALDH1A1TDP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL4372246 0.83 CYP3A4 (0.55) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL9487306 0.81 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4TSHRTEAD4
SCHEMBL7225718 0.81 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4TSHRTEAD4
SCHEMBL126339 0.81 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4TSHRTEAD4
SCHEMBL65211 0.80 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRTEAD4
SCHEMBL2013073 0.80 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRTEAD4

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
CN-119912506-A 1, 2-Diaza-5-carboxamide compound, preparation method and application thereof 沈阳药科大学 2025-05-02 CN disclosed
WO-2008045671-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-17 WO disclosed
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-10 US disclosed
US-4329365-A DIPHENYL ETHERS BURROUGHS WELLCOME CO. (US) 1982-05-11 US disclosed
US-4198407-A Substituted 2-phenyl-1,2,4-triazine-3,5(2H,4H)-diones, and coccidiostatic agents containing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 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 (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-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP7, MMP9 ALDH1A1 341/4885TDP1 1237/4885CYP3A4 2201/4885

“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.