SCHEMBL29982618

SCHEMBL29982618

C(=Cc1nncc2ccccc12)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.54
▸ CYP11B1 P15538 1/20 0.54
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A1 P04798 5/20 0.47
▸ CYP1A2 P05177 5/20 0.47
▸ CYP1B1 Q16678 5/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ GRM4 Q14833 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ JUN P05412 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL29982208 0.84 S100A4 (0.41) CYP11B2CYP11B1NPC1RAB9AKMT2A
SCHEMBL9000534 0.76 CYP11B1 (0.69) CYP11B2CYP11B1NPC1RAB9AKMT2A
SCHEMBL9000529 0.76 CYP11B1 (0.69) CYP11B2CYP11B1NPC1RAB9AKMT2A
SCHEMBL29691623 0.74 CYP11B1 (0.86) CYP11B2CYP11B1NPC1RAB9AKMT2A
SCHEMBL29691639 0.74 CYP11B1 (0.86) CYP11B2CYP11B1NPC1RAB9AKMT2A
SCHEMBL30827215 0.74 NPC1 (0.44) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL224748 0.73 NPC1 (0.47) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL3170614 0.73 CYP11B1 (0.59) CYP11B2CYP11B1NPC1RAB9AKMT2A
SCHEMBL5496395 0.72 CYP11B2 (1.00) CYP11B2CYP11B1NPC1RAB9AKMT2A
SCHEMBL31668803 0.72 CYP11B2 (1.00) CYP11B2CYP11B1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 — — US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 — — US disclosed
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol BROWN DENNIS (US) 2025-01-14 — — US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 — — US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 — — 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 (5 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP11B2 655/4885CYP11B1 1023/4885NPC1 2833/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP11B2 655/4885CYP11B1 1023/4885NPC1 2833/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP11B2 655/4885CYP11B1 1023/4885NPC1 2833/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP11B2 655/4885CYP11B1 1023/4885NPC1 2833/4885
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol HEXD, DDOST, PAICS CYP11B2 429/4885CYP11B1 338/4885NPC1 456/4885

“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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