SCHEMBL16616331

SCHEMBL16616331

O=C(C=Cc1cccnc1Nc1ccc(Cl)cc1Cl)c1cccnc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ PTPN5 P54829 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ LMNA P02545 3/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ AR P10275 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL16616330 1.00 DHODH (0.50) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616792 0.92 SMN1; SMN2 (0.48) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616794 0.92 SMN1; SMN2 (0.48) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616173 0.91 DHODH (0.50) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616175 0.91 DHODH (0.50) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16625594 0.89 SMN1; SMN2 (0.46) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616354 0.89 RAB9A (0.53) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616352 0.89 RAB9A (0.53) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616672 0.88 SMN1; SMN2 (0.44) DHODHSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16616675 0.88 SMN1; SMN2 (0.44) DHODHSMN1; SMN2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 — — US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 — — 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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 DHODH 637/4885SMN1; SMN2 4456/4885RAB9A 1415/4885

“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.

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