SCHEMBL3709896

SCHEMBL3709896

CC(=O)Nc1cccc(I)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 1/20 0.63
RAB9A P51151 3/20 0.58
POLB P06746 1/20 0.58
NR4A1 P22736 1/20 0.58
NAPRT Q6XQN6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.53
NQO2 P16083 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
TAAR1 Q96RJ0 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
SCHEMBL30487751 1.00 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1901172 0.85 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL29466759 0.83 GRIK1 (0.60) ALDH1A1RAB9APOLBSMN1; SMN2TP53
SCHEMBL11363610 0.83 EPHX1 (0.65) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL30611605 0.82 GRIK1 (0.51) ALDH1A1HSD17B10RAB9APOLBSMN1; SMN2
SCHEMBL2097848 0.82 GRIK1 (0.51) ALDH1A1HSD17B10RAB9APOLBSMN1; SMN2
SCHEMBL2097846 0.82 SIGMAR1 (0.50) ALDH1A1HSD17B10CYP1A2MAPTKMT2A
SCHEMBL3100071 0.81 GRIK1 (0.51) ALDH1A1HSD17B10POLBSMN1; SMN2TP53
SCHEMBL26386086 0.81 SMN1; SMN2 (0.63) ALDH1A1HSD17B10RAB9APOLBL3MBTL1
SCHEMBL6688905 0.81 TRPV1 (0.51) RAB9APOLBNR4A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020015826-A1 Zwitterionic iodonium compounds and methods of application CLEMSON UNIVERSITY 2002-02-07 US claimed
US-12497399-B2 Fluorinated integrin antagonists OCUTERRA THERAPEUTICS, INC. (US) 2025-12-16 US disclosed
US-12286432-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof OCUTERRA THERAPEUTICS, INC. (US) 2025-04-29 US disclosed
US-12129257-B1 Imidazo[1,2-a]pyrazine compounds as CK2 inhibitors King Faisal University (SA) 2024-10-29 US disclosed
US-20240352035-A1 NEAR-INFRARED NERVE-SPARING BENZO[C]PHENOXAZINE FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-10-24 US disclosed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
US-12030893-B2 Near-infrared nerve-sparing benzo[c]phenoxazine fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-12030893-B2 Near-infrared nerve-sparing benzo[c]phenoxazine fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-12030893-B2 Near-infrared nerve-sparing benzo[c]phenoxazine fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-20240140942-A1 FLUORINATED INTEGRIN ANTAGONISTS FELIQS CORPORATION (JP) 2024-05-02 US disclosed
CN-1166831-A Novel benzyl pyrimidines HOFFMANN LA ROCHE (CH) 1997-12-03 CN disclosed
EP-0799183-A1 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
EP-0794774-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-17 EP disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996038150-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-05 WO disclosed
US-5576174-A CATALYSIS OF ALDOLIZATION REACTION WITH ANTIBODIES AND AMINES THE SCRIPPS RESEARCH INSTITUTE (US) 1996-11-19 US disclosed
WO-1996020158-A1 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN 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 (7 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-20020015826-A1 Zwitterionic iodonium compounds and methods of application DGKI, DSTN, PCNA ALDH1A1 3578/4885HSD17B10 3530/4885CYP1A2 4710/4885
US-20240352035-A1 NEAR-INFRARED NERVE-SPARING BENZO[C]PHENOXAZINE FLUOROPHORES NTRK1, PMP22, PAX3 ALDH1A1 1034/4885HSD17B10 1828/4885CYP1A2 1101/4885
US-20240140942-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 ALDH1A1 2260/4885HSD17B10 3272/4885CYP1A2 4062/4885
US-12286432-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof FFAR3, FFAR2, FFAR1 ALDH1A1 1949/4885HSD17B10 672/4885CYP1A2 2338/4885
US-12030893-B2 Near-infrared nerve-sparing benzo[c]phenoxazine fluorophores NTRK1, PMP22, PAX3 ALDH1A1 1034/4885HSD17B10 1828/4885CYP1A2 1101/4885
US-12129257-B1 Imidazo[1,2-a]pyrazine compounds as CK2 inhibitors CSNK2A1, CSNK2A2, CSNK1A1 ALDH1A1 4189/4885HSD17B10 4365/4885CYP1A2 3001/4885
US-12497399-B2 Fluorinated integrin antagonists ITGB5, ITGB1, ITGA5 ALDH1A1 2260/4885HSD17B10 3272/4885CYP1A2 4062/4885

“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.