SCHEMBL5759783

SCHEMBL5759783

Oc1nncc(N2CCCC2)c1N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.33
SMARCA2 P51531 2/20 0.33
SMARCA4 P51532 2/20 0.33
PBRM1 Q86U86 2/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 4/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMPD3 Q9NY59 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5756540 0.98 ALDH1A1 (0.35) NR1I2SMARCA2SMARCA4PBRM1ALDH1A1
Hydrochloric Acid SCHEMBL5754089 0.98 NR1I2 (0.33) NR1I2SMARCA2SMARCA4PBRM1ALDH1A1
Hydrochloric Acid SCHEMBL5754916 0.96 ALDH1A1 (0.34) NR1I2SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL985163 0.84 ALDH1A1 (0.38) ALDH1A1POLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5249555 0.82 ALDH1A1 (0.37) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5757261 0.71 ROCK2 (0.38) NR1I2SMARCA2SMARCA4PBRM1PKM
SCHEMBL5758464 0.69 ROCK2 (0.40) NR1I2SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL6824239 0.69 NR1I2 (0.36) NR1I2SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL14157427 0.64 UBE2T (0.40) ALDH1A1NPC1RAB9ACYP1A2MAPT
SCHEMBL5756668 0.63 KDM4E (0.42) NR1I2SMARCA2SMARCA4PBRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP disclosed
US-6676932-B2 CONTAINING PYRIDAZINE DERIVATIVE SUNSCREEN AGENT SHISEIDO CO., LTD. (JP) 2004-01-13 US disclosed
US-20030198608-A1 Ultraviolet absorbent, photostabilizer, ultraviolet ray-absorbing composition, photostabilized composition and external prepraration for skin SHISEIDO CO., LTD. (JP) 2003-10-23 US disclosed
EP-1266651-A2 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO COMPANY LIMITED (JP) 2002-12-18 EP 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-20030198608-A1 Ultraviolet absorbent, photostabilizer, ultraviolet ray-absorbing composition, photostabilized composition and external prepraration for skin SUN2, UPF1, RRM1 NR1I2 1365/4885SMARCA2 1611/4885SMARCA4 1269/4885

“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.