SCHEMBL19087997

SCHEMBL19087997

CSc1ccc2c(c1)c(CCNCl)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
PLA2G2A P14555 3/20 0.39
PTGS2 P35354 1/20 0.38
LMNA P02545 4/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
JAK2 O60674 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CNR2 P34972 2/20 0.35
VDR P11473 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL19064533 0.88 CYP1A2 (0.78) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL19088169 0.87 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL19088134 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL19088168 0.81 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL19088144 0.81 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL19088135 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6PLA2G2A
SCHEMBL16027044 0.76 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL19064529 0.75 CYP1A2 (0.98) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL19064528 0.74 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL19078935 0.74 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1

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-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS UNIV NEW YORK STATE RES FOUND (US) 2022-01-27 US disclosed
EP-3397254-B1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER UNIV NEW YORK STATE RES FOUND (US) 2021-10-27 EP disclosed
US-10736877-B2 Tryptamine-based ship inhibitors for the treatment of cancer SYRACUSE UNIVERSITY (US) 2020-08-11 US disclosed
WO-2017117581-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-07-06 WO disclosed
US-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-07-06 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 (3 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-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER TPH1, INPP5B, INPP5D CYP1A2 4798/4885CYP3A4 4809/4885CYP2C19 4547/4885
US-10736877-B2 Tryptamine-based ship inhibitors for the treatment of cancer TPH1, INPP5B, INPP5D CYP1A2 4798/4885CYP3A4 4809/4885CYP2C19 4547/4885
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS LPCAT3, PLAAT2, PLA2G4B CYP1A2 4877/4885CYP3A4 4884/4885CYP2C19 4881/4885

“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.