SCHEMBL10152872

SCHEMBL10152872

CC(C)(C)C(C)(C)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.55
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KIF11 P52732 1/20 0.47
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL21132107 0.83 CYP19A1 (0.52) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL12040027 0.82 CYP19A1 (0.55) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL29583584 0.81 KIF11 (0.61) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL74389 0.81 KIF11 (0.61) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL27996644 0.79 CYP19A1 (0.57) CYP19A1CYP1A2CYP3A4LMNACYP11B1
Boric Acid SCHEMBL29093528 0.78 KIF11 (0.53) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL22303441 0.78 CYP19A1 (0.52) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL16230653 0.78 CYP19A1 (0.56) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL23059263 0.77 CYP19A1 (0.55) CYP19A1CYP1A2CYP3A4LMNACYP11B1
SCHEMBL19229667 0.77 CYP19A1 (0.55) CYP19A1CYP1A2CYP3A4LMNACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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-11780844-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT CYP19A1 4351/4885CYP1A2 2564/4885CYP3A4 1303/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CYP19A1 4780/4885CYP1A2 3942/4885CYP3A4 4166/4885

“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.