SCHEMBL98131

SCHEMBL98131

N#Cc1ccc(N)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
ALB P02768 1/20 0.48
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA6 P23280 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.38
CYP2A6 P11509 2/20 0.37
CA3 P07451 1/20 0.37
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36

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
Iodide SCHEMBL1704562 0.98 TTR (0.46) TTRALBALDH1A1KDM4EGAA
SCHEMBL30144833 0.84 ALDH1A1 (0.46) TTRALBALDH1A1KDM4EGAA
SCHEMBL18299704 0.84 ALDH1A1 (0.46) TTRALBALDH1A1KDM4EGAA
SCHEMBL11277214 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAACA2CA12
SCHEMBL29443092 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAACA2CA12
SCHEMBL352155 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAACA2CA12
SCHEMBL21687453 0.80 TTR (0.52) TTRALBALDH1A1CA2CA1
SCHEMBL1743125 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EGAACA2CA1
SCHEMBL5503660 0.78 TTR (0.43) TTRALBALDH1A1KDM4EGAA
SCHEMBL21277388 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EGAACA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865873-A 2-benzylidene indoline-3-ketone framework compound and synthesis method thereof 合肥工业大学 2024-04-12 CN claimed
CN-115894273-B Method for catalyzing alcohol C (OH) -C bond cleavage and functionalization by iodine-doped nonmetallic catalyst 常州大学 2024-04-09 CN claimed
CN-115894273-A Method for catalyzing alcohol C (OH) -C bond breaking and functionalization by iodine-doped non-metal catalyst 常州大学 2023-04-04 CN claimed
CN-111892553-A Method for synthesizing ammonium acetate mediated benzothiazole compound 衡阳师范学院 2020-11-06 CN claimed
US-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2025-10-02 US disclosed
CN-119894872-A Heteroarenes, pharmaceutical compositions containing heteroarenes, and methods of use thereof 修复治疗公司 2025-04-25 CN disclosed
EP-4526293-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME Repare Therapeutics Inc. (CA) 2025-03-26 EP disclosed
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
CN-115052860-B Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2024-06-21 CN disclosed
CN-117865873-A 2-benzylidene indoline-3-ketone framework compound and synthesis method thereof 合肥工业大学 2024-04-12 CN disclosed
CN-115894273-B Method for catalyzing alcohol C (OH) -C bond cleavage and functionalization by iodine-doped nonmetallic catalyst 常州大学 2024-04-09 CN disclosed
US-20230407293-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS MAIANTI JUAN PABLO (US) 2023-12-21 US disclosed
US-6624153-B2 Derivatives of two synthetic anti-tuberculosis agents, thioacetazone and p-aminosalicylic acid, have been synthesized. In general, the halogenated compound has the structure of Structure I:for use as anti-tuberculosis UNIVERSITY OF SCIENCES IN PHILADELPHIA 2003-09-23 US disclosed
US-20030114531-A1 Halogenated antituberculosis agents KOBARFARD FARZAD (US) 2003-06-19 US disclosed
WO-2002092019-A2 HALOGENATED ANTITUBERCULOSIS AGENTS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2002-11-21 WO disclosed
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS SCIENCES IN PHILADELPHIA, UNIVERSITY OF 2002-11-21 US disclosed
US-6482982-B1 BACTERICIDES; MYCOBACTERIUM RESISTANCE UNIVERSITY OF SCIENCES OF PHILADELPHIA 2002-11-19 US disclosed
EP-0971926-A1 DIHYDROPYRAZINO 1,2-$i(A)-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042710-A1 DIHYDROPYRAZINO [1,2-A-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed
US-4622217-A I-4-amino-3-iodobenzylguanidine as imaging and therapeutic agent THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1986-11-11 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-20230407293-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS DNA2, WRN, DCLRE1A TTR 4007/4885ALB 3434/4885ALDH1A1 2197/4885
US-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK2A1 TTR 2866/4885ALB 3739/4885ALDH1A1 4490/4885
US-20030114531-A1 Halogenated antituberculosis agents XDH, TST, QSOX1 TTR 1539/4885ALB 659/4885ALDH1A1 277/4885
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS XDH, TST, QSOX1 TTR 1539/4885ALB 659/4885ALDH1A1 277/4885

“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.