SCHEMBL29982208

SCHEMBL29982208

C(=Cc1nncc2ccccc12)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ GOT1 P17174 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MPO P05164 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ AOX1 Q06278 1/20 0.40

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
SCHEMBL29982618 0.84 CYP11B2 (0.54) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL30827215 0.76 NPC1 (0.44) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL224748 0.75 NPC1 (0.47) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL291352 0.72 NPC1 (0.47) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL5436460 0.72 NPC1 (0.47) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL6008542 0.72 NPC1 (0.47) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL9000448 0.70 MAPT (0.50) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL9000449 0.70 MAPT (0.50) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL3163724 0.69 CHAT (0.63) MAPTLMNASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL3163578 0.69 CHAT (0.63) MAPTLMNASMN1; SMN2CYP1A2ALDH1A1

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 S100A4 2707/4885MAPT 4222/4885NPC1 2833/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT S100A4 2707/4885MAPT 4222/4885NPC1 2833/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT S100A4 2707/4885MAPT 4222/4885NPC1 2833/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT S100A4 2707/4885MAPT 4222/4885NPC1 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 S100A4 3522/4885MAPT 2000/4885NPC1 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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