SCHEMBL232915

SCHEMBL232915

c1ccc2sc(N3CCNCC3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
SCN4A P35499 2/20 0.63
SCN9A Q15858 2/20 0.63
POLB P06746 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
TSHR P16473 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CRBN Q96SW2 2/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PPARG P37231 1/20 0.55

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
Hydrochloric Acid SCHEMBL17455087 0.98 RAB9A (0.65) RAB9ANPC1SMN1; SMN2SCN4ASCN9A
SCHEMBL3216411 0.94 RAB9A (0.60) RAB9ANPC1SMN1; SMN2SCN4ASCN9A
SCHEMBL8526236 0.84 RAB9A (0.73) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL1713549 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL7217567 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL11783793 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL29561851 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL2202283 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL9571707 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL20767885 0.81 SCN4A (0.67) RAB9ANPC1SMN1; SMN2SCN4ASCN9A

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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430626-A Tridurum boron skeleton compound PPB1 and preparation method and application thereof 湖南科技大学 2024-01-23 CN claimed
CN-1894259-A Rifamycin analogs and uses thereof ACTIVBIOTICS INC (US) 2007-01-10 CN claimed
WO-2002036113-A1 COMPOSITION COMPRISING: SEROTONIN RECEPTOR ANTAGONISTS (5HT-2, 5HT-3) AND AGONIST (5HT-4) RESPIRATORIUS AB (SE) 2002-05-10 WO claimed
WO-2001095902-A9 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS 2002-04-25 WO claimed
WO-2001095902-A1 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS RESPIRATORIUS AB (SE) 2001-12-20 WO claimed
JP-11199573-A None JP disclosed
US-20260027215-A1 COMPOSITIONS FOR TRANSPORT OF THERAPEUTIC CARGOS USING BINDERS TARGETING CA-IV RECEPTIVE BIO INC (US) 2026-01-29 US disclosed
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
CN-117430626-A Tridurum boron skeleton compound PPB1 and preparation method and application thereof 湖南科技大学 2024-01-23 CN disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed
US-4780466-A ANALGESICS, ANTIPSYCHOTIC AGENTS, ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-10-25 US disclosed
US-4742059-A ANTIASTMA, ANTIALLERGENS AMERICAN CYANAMIDE COMPANY (US) 1988-05-03 US disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP disclosed
US-4692449-A ANTIASTHMATIC AND ANTIALLERGIC AGENTS AMERICAN CYANAMID COMPANY (US) 1987-09-08 US disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO disclosed
CN-86106226-A 20-and 21-amino steroids 1987-03-18 CN disclosed
US-4112092-A CNS DISORDER, PARKINSON'S, CARDIOVASCULAR DISORDER SCIENCE UNION ET CIE (FR) 1978-09-05 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-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 RAB9A 2496/4885NPC1 1380/4885SMN1; SMN2 1716/4885
US-20260027215-A1 COMPOSITIONS FOR TRANSPORT OF THERAPEUTIC CARGOS USING BINDERS TARGETING CA-IV CA4, FLT4, CAMK4 RAB9A 2925/4885NPC1 125/4885SMN1; SMN2 4714/4885

“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.