SCHEMBL404462

SCHEMBL404462

Cc1cc(N)c(N)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CA1 P00915 1/20 0.34
PTPN5 P54829 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL31236121 1.00 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ELMNAGAA
Sulfuric Acid SCHEMBL7637902 0.87 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL12686345 0.86 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL12968545 0.80 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL25245189 0.79 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL1548545 0.79 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL11136300 0.79 KDM4E (0.50) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL29557807 0.79 KDM4E (0.50) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL1942808 0.75 ALDH1A1 (0.60) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL21957498 0.75 ALDH1A1 (0.38) ALDH1A1TSHRKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 US disclosed
WO-2018130227-A1 AROMATIC RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 山东罗欣药业集团股份有限公司 2018-07-19 WO disclosed
CN-102807568-B Thiadiazoles derivative class DPP-IV inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-25 CN disclosed
CN-102807568-A Thiadiazole derivative DPP-IV (dipeptidyl peptidase IV) inhibitor JIANGSU CHIA TAI TIANQING PHAR 2012-12-05 CN disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 US disclosed
EP-1658128-A1 MULTI-CONSTITUENT PACKAGING COMPRISING A STATIC MICROMIXER Wella Aktiengesellschaft (DE) 2006-05-24 EP disclosed
WO-2005018785-A1 MULTI-CONSTITUENT PACKAGING COMPRISING A STATIC MICROMIXER WELLA AKTIENGESELLSCHAFT (DE) 2005-03-03 WO 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-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 ALDH1A1 2719/4885TSHR 363/4885KDM4E 3382/4885
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS ALDH1A1 275/4885TSHR 4051/4885KDM4E 818/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885TSHR 82/4885KDM4E 1897/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885TSHR 82/4885KDM4E 1897/4885

“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.