SCHEMBL23978857

SCHEMBL23978857

O=[N+]([O-])c1ccccc1/C=C/C=C1c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 1.00
▸ MAPT P10636 11/20 0.58
▸ ALDH1A1 P00352 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ MAPK1 P28482 5/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ MEN1 O00255 7/20 0.51
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAOB P27338 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ POLB P06746 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL31741909 1.00 SOS1 (1.00) SOS1MAPTALDH1A1KMT2AMAPK1
SCHEMBL17762647 1.00 SOS1 (1.00) SOS1MAPTALDH1A1KMT2AMAPK1
SCHEMBL5440784 0.84 SOS1 (0.71) SOS1MAPTALDH1A1KMT2AMAPK1
SCHEMBL5440780 0.84 SOS1 (0.71) SOS1MAPTALDH1A1KMT2AMAPK1
SCHEMBL27515150 0.81 SOS1 (0.68) SOS1MAPTALDH1A1KMT2AMAPK1
SCHEMBL14713042 0.80 XDH (0.69) SOS1MAPTALDH1A1KMT2AMAPK1
SCHEMBL11049170 0.80 MAPT (0.69) SOS1MAPTALDH1A1KMT2AKDM4E
SCHEMBL9978289 0.80 MAPT (0.69) SOS1MAPTALDH1A1KMT2AKDM4E
SCHEMBL14935499 0.80 MAPT (0.69) SOS1MAPTALDH1A1KMT2AKDM4E
SCHEMBL446484 0.79 SOS1 (0.65) SOS1MAPTALDH1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING UNIVERSITY OF CINCINNATI 2021-11-04 — — 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 (1 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-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING SOS1, SOS2, SOST SOS1 1/4885MAPT 4141/4885ALDH1A1 4727/4885

“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.

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