SCHEMBL21776984

SCHEMBL21776984

Nc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.57
▸ HPGD P15428 11/20 0.57
▸ MAPT P10636 10/20 0.57
▸ KDM4E B2RXH2 10/20 0.57
▸ SMN1; SMN2 Q16637 10/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ RAB9A P51151 8/20 0.57
▸ TP53 P04637 7/20 0.57
▸ HSD17B10 Q99714 6/20 0.57
▸ POLB P06746 6/20 0.57
▸ GFER P55789 4/20 0.57
▸ TNKS O95271 3/20 0.51
▸ TNKS2 Q9H2K2 3/20 0.51
▸ PARP1 P09874 2/20 0.51
▸ MEN1 O00255 11/20 0.49
▸ KMT2A Q03164 11/20 0.49
▸ GAA P10253 9/20 0.49
▸ GLA P06280 5/20 0.49
▸ RECQL P46063 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49

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
SCHEMBL27961299 0.85 NPC1 (0.55) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6439292 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6325048 0.81 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6492052 0.81 ALDH1A1 (0.59) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6494902 0.77 SMN1; SMN2 (0.59) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7458021 0.77 SMN1; SMN2 (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL5924246 0.75 TYMS (0.51) ALDH1A1PARP1MEN1KMT2A
SCHEMBL28241148 0.73 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL222131 0.73 ALDH1A1 (1.00) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6324494 0.72 RHEB (0.69) ALDH1A1HPGDMAPTKDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-12-23 — — US disclosed
US-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-12-23 — — US disclosed
EP-3843853-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-07-07 — — EP disclosed
WO-2020043880-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-03-05 — — 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-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS AHR, ARNT, AIPL1 ALDH1A1 253/4885HPGD 112/4885MAPT 4469/4885

“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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