SCHEMBL19148682

SCHEMBL19148682

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.NCCCN1CCc2cccc(OCc3ccccc3)c21

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
MMP15 P51511 1/20 0.41
MMP16 P51512 1/20 0.41
MMP26 Q9NRE1 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL19148290 0.86 ADRA1D (0.44) ADRA1DADRA1AADRA1BLMNAMAPT
SCHEMBL19173184 0.75 HTT (0.42) ADRA1DADRA1AADRA1BLMNAALDH1A1
SCHEMBL19149405 0.71 HTT (0.43) LMNAMAPTHTTSMN1; SMN2TDP1
SCHEMBL23489367 0.71 ALDH1A1 (0.45) ADRA1DADRA1AADRA1BALDH1A1KMT2A
Benzylamine SCHEMBL5820436 0.68 BCHE (0.54) LMNAALDH1A1KDM4ERECQLKMT2A
SCHEMBL4611094 0.68 ALDH1A1 (0.48) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL9117898 0.68 LMNA (0.48) LMNAALDH1A1KDM4EHPGDRECQL
SCHEMBL1363911 0.68 LMNA (0.64) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL10528237 0.68 CYP2C19 (0.53) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL19149070 0.67 L3MBTL1 (0.38) LMNAALDH1A1KMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12599584-B2 Indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2026-04-14 US disclosed
EP-3405454-B1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-12-29 EP disclosed
US-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-06-10 US disclosed
EP-3405454-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Yissum Research Development Company of The Hebrew University of Jerusalem Ltd. (IL) 2018-11-28 EP disclosed
WO-2017125932-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-07-27 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 (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-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, IDO2, INMT ADRA1D 726/4885ADRA1A 548/4885ADRA1B 630/4885
US-12599584-B2 Indoline derivatives, compositions comprising them and uses thereof IL6, TNF, IDO1 ADRA1D 493/4885ADRA1A 752/4885ADRA1B 693/4885

“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.