SCHEMBL827893

SCHEMBL827893

CC(=O)c1ccc(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNJ1 P48048 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
P4HTM Q9NXG6 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
HCRTR1 O43613 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 SCHEMBL247414 0.98 RAB9A (0.47) RAB9AMAPTALDH1A1CCR1CCR5
SCHEMBL14826038 0.84 EGLN1 (0.58) RAB9AALDH1A1KCNJ1KDM4EP4HTM
SCHEMBL82620 0.82 P4HTM (0.59) RAB9AMAPTALDH1A1CCR1CCR5
SCHEMBL29954297 0.82 P4HTM (0.59) RAB9AMAPTALDH1A1CCR1CCR5
SCHEMBL2270351 0.80 P4HTM (0.57) RAB9AMAPTALDH1A1CCR1CCR5
SCHEMBL171039 0.80 KMT2A (0.53) RAB9AMAPTALDH1A1CCR1CCR5
SCHEMBL10934402 0.80 RAB9A (0.47) RAB9AMAPTALDH1A1CCR1CCR5
SCHEMBL3997731 0.80 P4HTM (0.57) RAB9AMAPTALDH1A1CCR1CCR5
SCHEMBL3997737 0.80 P4HTM (0.57) RAB9AMAPTALDH1A1CCR1CCR5
Hydrochloric Acid SCHEMBL5955817 0.80 P4HTM (0.57) RAB9AMAPTALDH1A1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
CN-110423234-B Thiosemicarbazone derivative containing indole fragment and preparation method and application thereof 郑州大学 2020-06-30 CN claimed
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2026-03-24 US disclosed
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 EP disclosed
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP disclosed
EP-3713931-B1 3-OXO-6-HETEROARYL-2-PHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES DEUTSCHES KREBSFORSCH (DE) 2025-03-05 EP disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2024-09-26 US disclosed
WO-2024174819-A1 HETEROARYL-CONTAINING UNNATURAL AMINO ACID AND USE THEREOF 浙江新码生物医药有限公司 2024-08-29 WO disclosed
CN-117417292-B Heteroaryl-containing unnatural amino acid and application thereof 浙江新码生物医药有限公司 2024-07-12 CN disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 US disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
EP-1361224-A1 Heterocyclic hydrazones for use as anti-cancer agents Innovationsagentur Gesellschaft m.b.H. (AT) 2003-11-12 EP disclosed
US-20030166658-A1 Heterocyclic hydrazones for use as anti-cancer agents EASMON, JOHNNY, OF INSTITUT FUR PHARMAZIE (AT) 2003-09-04 US disclosed
EP-1286987-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2003-03-05 EP disclosed
WO-2001094340-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) 2001-12-13 WO disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
US-4574125-A Naphtho-[1,2-b]-quinolizium derivatives as antidiarrheal agents MERCK & CO., INC. (US) 1986-03-04 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 (4 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-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 RAB9A 1165/4885MAPT 3787/4885ALDH1A1 1760/4885
US-20030166658-A1 Heterocyclic hydrazones for use as anti-cancer agents HDAC5, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 RAB9A 3481/4885MAPT 4586/4885ALDH1A1 436/4885
US-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 RAB9A 899/4885MAPT 4625/4885ALDH1A1 357/4885
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCR2, CXCR1 RAB9A 1727/4885MAPT 3767/4885ALDH1A1 3100/4885

“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.