Sugi Predict

Sugi Predict / Compounds / SCHEMBL7564095

SCHEMBL7564095

SCHEMBL7564095

Cc1nccn1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2E1 P05181 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ TUBB4A P04350 2/20 0.39
▸ TUBB P07437 2/20 0.39
▸ TUBA3C P0DPH7 2/20 0.39
▸ TUBA1B P68363 2/20 0.39
▸ TUBA4A P68366 2/20 0.39
▸ TUBB4B P68371 2/20 0.39
▸ TUBB3 Q13509 2/20 0.39
▸ TUBB2A Q13885 2/20 0.39
▸ TUBB8 Q3ZCM7 2/20 0.39
▸ TUBA3E Q6PEY2 2/20 0.39
▸ TUBA1A Q71U36 2/20 0.39
▸ TUBA1C Q9BQE3 2/20 0.39
▸ TUBB6 Q9BUF5 2/20 0.39
▸ TUBB2B Q9BVA1 2/20 0.39
▸ TUBB1 Q9H4B7 2/20 0.39

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
SCHEMBL9371812 0.72 HTR7 (0.46) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16692753 0.72 CYP3A4 (0.44) CYP3A4CYP2E1CYP2A6ALDH1A1TUBB4A
SCHEMBL28201270 0.71 FGFR1 (0.36) ALDH1A1FGFR1CYP1A2GAA
SCHEMBL9371807 0.70 FGFR1 (0.35) FGFR1
SCHEMBL15617683 0.69 LMNA (0.45) CYP3A4CYP2E1CYP2A6ALDH1A1TUBB4A
SCHEMBL247473 0.69 CYP3A4 (0.42) CYP3A4CYP2E1CYP2A6ALDH1A1TUBB4A
SCHEMBL2050580 0.69 CYP3A4 (0.42) CYP3A4CYP2E1CYP2A6ALDH1A1TUBB4A
SCHEMBL247724 0.69 CYP3A4 (0.39) CYP3A4CYP2E1CYP2A6ALDH1A1TUBB4A
SCHEMBL30558759 0.69 ALDH1A1 (0.71) CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2
SCHEMBL2336960 0.68 CYP3A4 (0.69) CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2

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-11655244-B2 Carbazole compounds and methods of use thereof GSNO THERAPEUTICS, INC. (US) 2023-05-23 — — US disclosed
US-6465486-B1 ALPHA2 ADRENOCEPTOR MODULATORS; HYPERTENSION, GLAUCOMA, SEXUAL DYSFUNCTION, DEPRESSION, ATTENTION DEFICIT HYPERACTIVITY DISORDER, PARKINSONISM, NEED FOR ANESTHESIA, CARDIAC ARRYTHMIA ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-15 — — US disclosed
US-6426356-B1 ANALGESICS; HYPOTENSIVE AGENTS; ANTIDEPRESSANTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-07-30 — — US disclosed
US-20020025974-A1 BICYCLE THIOPHENES AND THIAZOLES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-02-28 — — 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-20020025974-A1 BICYCLE THIOPHENES AND THIAZOLES ADRB1, ADRA1D, ADRA2C CYP3A4 109/4885CYP2E1 104/4885CYP2A6 537/4885
US-11655244-B2 Carbazole compounds and methods of use thereof GSR, CBR3, CBR1 CYP3A4 25/4885CYP2E1 6/4885CYP2A6 257/4885

“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.