SCHEMBL25110163

SCHEMBL25110163

CC(C)(C)c1ccc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ PKN1 Q16512 2/20 0.55
▸ PKN2 Q16513 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ RHEB Q15382 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ GCGR P47871 1/20 0.51
▸ SCD O00767 2/20 0.49
▸ GUSB P08236 1/20 0.48
▸ KIF11 P52732 2/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47

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
SCHEMBL13672566 0.88 NPC1 (0.66) HDAC6KDM4EALDH1A1PKN1PKN2
SCHEMBL24074323 0.87 HDAC6 (0.60) HDAC6SCDTRPV1NPBWR1
SCHEMBL13118022 0.86 HDAC6 (0.68) HDAC6KDM4EALDH1A1PKN2CYP3A4
SCHEMBL10574973 0.86 PKN1 (0.52) HDAC6KDM4EALDH1A1PKN1PKN2
Ammonia Solution, Strong SCHEMBL2446708 0.85 HDAC6 (0.66) HDAC6KDM4EALDH1A1PKN2CYP3A4
SCHEMBL5680196 0.85 KDM4E (0.59) KDM4EALDH1A1PKN1PKN2CYP1A2
SCHEMBL10573939 0.85 KDM4E (0.49) HDAC6KDM4EALDH1A1PKN1PKN2
SCHEMBL10580819 0.84 KDM4E (0.48) HDAC6KDM4EALDH1A1PKN1PKN2
SCHEMBL1610237 0.84 HDAC6 (0.60) HDAC6KDM4EALDH1A1CYP3A4HPGD
SCHEMBL10580821 0.83 KDM4E (0.50) HDAC6KDM4EALDH1A1PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 — — 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-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 HDAC6 2604/4885KDM4E 4479/4885ALDH1A1 4805/4885

“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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