SCHEMBL4647387

SCHEMBL4647387

CC(C)c1cc(I)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRB2 P47870 2/20 0.48
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HIF1A Q16665 2/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
THRB P10828 2/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 2/20 0.33
CYP3A4 P08684 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL21756933 0.84 GABRA1 (0.41) GABRA1GABRB1GABRB2GAAALDH1A1
SCHEMBL12197671 0.80 GABRA1 (0.52) GABRA1GABRB1GABRB2HIF1ASLC6A2
SCHEMBL29433029 0.78 CASP1 (0.42) GAAALDH1A1HIF1AALOX12HTT
SCHEMBL33893 0.78 CASP1 (0.42) GAAALDH1A1HIF1AALOX12HTT
SCHEMBL13818840 0.78 GABRA1 (0.50) GABRA1GABRB1GABRB2HIF1ASLC6A2
SCHEMBL2155134 0.78 ALDH1A1 (0.48) GAAALDH1A1HIF1AALOX12HTT
SCHEMBL28252731 0.78 CASP1 (0.42) GAAALDH1A1HIF1AALOX12HTT
SCHEMBL4799932 0.77 SLC6A4 (0.33) GABRA1GABRB1GABRB2GAAALDH1A1
SCHEMBL24632260 0.76 GABRA1 (0.33) GABRA1GABRB1GABRB2HIF1ASLC6A2
Hydrochloric Acid SCHEMBL10534032 0.76 CASP1 (0.41) GAAALDH1A1HIF1AALOX12HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479040-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF Full-Life Technologies HK Limited (HK) 2024-12-25 EP disclosed
CN-119136796-A Neurotensin receptor-targeting compounds and radioligands and uses thereof 辐联科技香港有限公司 2024-12-13 CN disclosed
US-12145926-B2 Compounds and radioligands for targeting neurotensin receptor and uses thereof FULL-LIFE TECHNOLOGIES HK LIMITED (CN) 2024-11-19 US disclosed
US-20240287046-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF FULL-LIFE TECHNOLOGIES HK LIMITED (CN) 2024-08-29 US disclosed
WO-2023158802-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF FULL-LIFE TECHNOLOGIES U.S. INC. (US) 2023-08-24 WO disclosed
WO-2023158802-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF FULL-LIFE TECHNOLOGIES U.S. INC. (US) 2023-08-24 WO disclosed
WO-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed
CN-1863789-B Substituted isoquinolinones PORTOLA PHARM INC 2010-06-09 CN disclosed
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
CN-1863789-A Substituted isoquinolinones PORTOLA PHARM INC (US) 2006-11-15 CN disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 US disclosed
EP-0148623-A2 Quinolone inotropic agents Pfizer Limited (GB) 1985-07-17 EP 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R GABRA1 2249/4885GABRB1 3164/4885GABRB2 3089/4885
US-20240287046-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF NTSR1, NTSR2, NPSR1 GABRA1 442/4885GABRB1 719/4885GABRB2 746/4885
US-12145926-B2 Compounds and radioligands for targeting neurotensin receptor and uses thereof NTSR1, NTSR2, NPSR1 GABRA1 442/4885GABRB1 719/4885GABRB2 746/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 GABRA1 357/4885GABRB1 288/4885GABRB2 278/4885

“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.