SCHEMBL6833334

SCHEMBL6833334

O=C(Cl)Cc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 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
Hydrochloric Acid SCHEMBL6970173 0.98 CYP19A1 (0.47) CYP19A1ALDH1A1GAAMAPTRAB9A
SCHEMBL4194796 0.82 CA2 (0.46) ALDH1A1GAARAB9ANPC1CA2
SCHEMBL10750108 0.80 CYP19A1 (0.52) CYP19A1ALDH1A1GAAMAPTRAB9A
SCHEMBL48554 0.78 AKR1B1 (0.61) CYP19A1ALDH1A1GAAMAPTCA2
SCHEMBL8040203 0.78 CYP19A1 (0.50) CYP19A1ALDH1A1GAAMAPTRAB9A
SCHEMBL9706507 0.77 FFAR1 (0.49) RAB9ANPC1LOXL2SMN1; SMN2HDAC6
Hydrochloric Acid SCHEMBL367129 0.76 AKR1B1 (0.58) CYP19A1ALDH1A1GAAMAPTCA2
Potassium Ion SCHEMBL17653817 0.76 CYP19A1 (0.48) CYP19A1ALDH1A1GAAMAPTRAB9A
SCHEMBL5943952 0.76 CYP19A1 (0.48) CYP19A1ALDH1A1GAAMAPTRAB9A
SCHEMBL11400677 0.76 LOXL2 (0.42) CYP19A1ALDH1A1GAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
CN-113997650-A Multilayer structure assembly with force-induced responsiveness 厦门天策材料科技有限公司 2022-02-01 CN disclosed
CN-113978071-A Multilayer structure assembly 翁秋梅 2022-01-28 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
CN-111378144-A Force-induced response supramolecular polymer 翁秋梅 2020-07-07 CN disclosed
CN-111134409-A Self-adaptive clothes 翁秋梅 2020-05-12 CN disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
US-5232978-A 1-(2-arylethyl)-pyrrolidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0483580-A2 1-(2-Arylethyl)-pyrrolidine MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 CYP19A1 133/4885ALDH1A1 323/4885GAA 2909/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 CYP19A1 1940/4885ALDH1A1 852/4885GAA 3813/4885

“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.