SCHEMBL29664808

SCHEMBL29664808

c1ccc(CNc2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 1.00
FABP6 P51161 1/20 1.00
CXCR4 P61073 1/20 0.88
KDM4E B2RXH2 1/20 0.73
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
GAA P10253 1/20 0.67
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
NOS2 P35228 1/20 0.61
NOS1 P29475 1/20 0.58
BACE1 P56817 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2230559 1.00 FABP1 (1.00) FABP1FABP6CXCR4KDM4ENPC1
Fluoride SCHEMBL28270594 0.98 FABP1 (0.96) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL27585010 0.98 FABP1 (0.96) FABP1FABP6CXCR4KDM4ENPC1
Hydrochloric Acid SCHEMBL4696844 0.98 FABP1 (0.96) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL29351380 0.94 CXCR4 (1.00) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL589266 0.94 CXCR4 (1.00) FABP1FABP6CXCR4KDM4ENPC1
Alcohol SCHEMBL11700176 0.91 FABP1 (0.83) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL3374151 0.89 CXCR4 (0.82) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL10054969 0.88 FABP1 (0.79) FABP1FABP6CXCR4KDM4ENPC1
SCHEMBL10055030 0.88 CXCR4 (0.89) FABP1FABP6CXCR4KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586893-B1 COPPER PLATING BATH AND CORRESPONDING METHOD ROHM & HAAS ELECT MAT (US) 2022-09-21 EP claimed
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 EP disclosed
CN-116606292-A Pyrido [1,2-a ] pyrimidinone derivatives containing sulfonamide unit, preparation method and application thereof 贵州大学 2023-08-18 CN disclosed
EP-3680230-B1 HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF TECHNICAL INST OF PHYSICS AND CHEMISTRY OF THE CHINESE ACADEMY OF SCIENCES (CN) 2022-11-02 EP disclosed
US-11439707-B2 Hypocrellin derivative substituted both in a peri-position and in 2-position by amino, preparation method, and application thereof Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) 2022-09-13 US disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 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-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 FABP1 3846/4885FABP6 3480/4885CXCR4 1916/4885
US-11439707-B2 Hypocrellin derivative substituted both in a peri-position and in 2-position by amino, preparation method, and application thereof PPOX, AAAS, HCCS FABP1 4874/4885FABP6 4508/4885CXCR4 3772/4885

“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.