SCHEMBL16612237

SCHEMBL16612237

CCSc1ncccc1-c1nc2cc(SC(F)(F)F)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ HPGD P15428 6/20 0.41
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 8/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPT P10636 7/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ UTRN P46939 2/20 0.38
▸ TP53 P04637 7/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HSD17B10 Q99714 5/20 0.36

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
SCHEMBL16803707 0.87 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL16779742 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL16803684 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL15616835 0.84 NPC1 (0.43) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL16779811 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL29431601 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL15933508 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL16803691 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL16612323 0.81 HDAC6 (0.41) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL16666725 0.81 ESR1 (0.37) ALDH1A1KDM4EHPGDGAASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857397-B1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-04-08 — — EP disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 — — US disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 — — US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 — — US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 — — US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 — — US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 — — US disclosed
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 — — 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 (2 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-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B1 ALDH1A1 2552/4885KDM4E 3966/4885HPGD 2804/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 ALDH1A1 2594/4885KDM4E 3834/4885HPGD 2200/4885

“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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