SCHEMBL16675455

SCHEMBL16675455

COc1cc(-c2nnc(SCc3cccc(F)c3)n2N)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ TSHR P16473 2/20 0.54
▸ TUBB4A P04350 1/20 0.52
▸ TUBB P07437 1/20 0.52
▸ TUBA3C P0DPH7 1/20 0.52
▸ TUBA1B P68363 1/20 0.52
▸ TUBA4A P68366 1/20 0.52
▸ TUBB4B P68371 1/20 0.52
▸ TUBB3 Q13509 1/20 0.52
▸ TUBB2A Q13885 1/20 0.52
▸ TUBB8 Q3ZCM7 1/20 0.52

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
SCHEMBL16675472 0.89 CYP1A2 (0.72) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL28375770 0.78 METAP2 (0.51) GAAALDH1A1NPC1TUBB4ATUBB
SCHEMBL16675465 0.78 L3MBTL1 (0.71) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL28376474 0.76 MAPK1 (0.54) GAAALDH1A1KMT2ARAB9ATSHR
SCHEMBL25154892 0.76 ALDH1A1 (0.57) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL4203641 0.75 ALOX15 (0.63) CYP1A2CYP3A4CYP2C19GAAALDH1A1
SCHEMBL28376628 0.74 METAP2 (0.53) CYP1A2CYP3A4GAAALDH1A1NPC1
SCHEMBL28372567 0.74 SMN1; SMN2 (0.53) CYP3A4CYP2C19GAAALDH1A1KMT2A
SCHEMBL28376572 0.74 TERT (0.60) GAAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL6406864 0.73 TUBB4A (0.64) CYP1A2CYP3A4CYP2C19GAAALDH1A1

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-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 — — US disclosed
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 — — US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 — — US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 — — 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 (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-11737462-B2 Methods for modulating plant response to environmentally-induced stress RACK1, ROS1, HSF1 L3MBTL1 3207/4885CYP1A2 3792/4885CYP3A4 4586/4885
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS RACK1, ROS1, HSF1 L3MBTL1 3207/4885CYP1A2 3792/4885CYP3A4 4586/4885

“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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